N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[(4E)-3-keto-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CS4)O2

Isomeric SMILES

CC1=CC2=C(C=C1)N/C(=C\3/C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CS4)/O2

InChI

InChI=1S/C20H15N3O3S2/c1-11-4-7-14-16(9-11)26-19(22-14)13-6-5-12(10-15(13)24)21-20(27)23-18(25)17-3-2-8-28-17/h2-10,22H,1H3,(H2,21,23,25,27)/b19-13+